Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
perms_num
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 226-250 out of 2180
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
Username
✕
Energy
✕
226
C
60
H
24
0.000
mse-gucc
-616.283
227
C
60
H
24
0.000
mse-gucc
-616.152
228
C
60
H
24
0.000
mse-gucc
-620.305
229
C
60
H
24
0.000
mse-gucc
-617.566
230
C
60
H
24
0.000
mse-gucc
-618.516
231
C
60
H
24
0.000
mse-gucc
-610.662
232
C
60
H
24
0.000
mse-gucc
-608.357
233
C
60
H
24
0.000
mse-gucc
-608.136
234
C
60
H
24
0.000
mse-gucc
-610.742
235
C
60
H
24
0.001
mse-gucc
-610.665
236
C
60
H
24
0.000
mse-gucc
-612.616
237
C
60
H
24
0.000
mse-gucc
-614.754
238
C
60
H
24
0.000
mse-gucc
-616.042
239
C
60
H
24
0.000
mse-gucc
-619.679
240
C
60
H
24
0.000
mse-gucc
-611.845
241
C
60
H
24
0.000
mse-gucc
-606.473
242
C
60
H
24
0.000
mse-gucc
-618.524
243
C
60
H
24
0.000
mse-gucc
-620.445
244
C
60
H
24
0.000
mse-gucc
-620.444
245
C
60
H
24
0.000
mse-gucc
-619.256
246
C
60
H
24
0.000
mse-gucc
-609.075
247
C
60
H
24
0.000
mse-gucc
-608.408
248
C
60
H
24
0.001
mse-gucc
-609.751
249
C
60
H
24
0.000
mse-gucc
-608.018
250
C
60
H
24
0.000
mse-gucc
-620.781
«
1
2
3
4
5
6
7
8
9
10
11
12
13
14
...
85
86
87
88
»